4-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(3-nitrophenyl)carbonyl-piperazin-1-yl]butan-1-one

Systemtic Name: 4-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(3-nitrophenyl)carbonyl-piperazin-1-yl]butan-1-one Openeye Name: 4-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(3-nitrobenzoyl)piperazin-1-yl]butan-1-one CAS Name: 4-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-[3-methyl-4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(3-nitrobenzoyl)piperazin-1-yl]butan-1-one Traditional Name: 4-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-[3-methyl-4-(3-nitrobenzoyl)piperazino]butan-1-one Formula: C31H32N6O5S MolecularWeight: 600.68798

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4OC)C5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4OC)C5=CC=CC=C5

InChI

InChI=1S/C31H32N6O5S/c1-22-21-34(17-18-35(22)30(39)24-12-8-13-25(20-24)37(40)41)28(38)16-9-19-43-31-33-32-29(23-10-4-3-5-11-23)36(31)26-14-6-7-15-27(26)42-2/h3-8,10-15,20,22H,9,16-19,21H2,1-2H3