4-[[4-azanyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one

Systemtic Name: 4-[[4-azanyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thienyl)butan-1-one CAS Name: 4-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[(4-amino-5-p-anisyl-1,2,4-triazol-3-yl)thio]-1-(2-thienyl)butan-1-one Formula: C18H20N4O2S2 MolecularWeight: 388.507

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN=C(N2N)SCCCC(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(N2N)SCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H20N4O2S2/c1-24-14-8-6-13(7-9-14)12-17-20-21-18(22(17)19)26-11-2-4-15(23)16-5-3-10-25-16/h3,5-10H,2,4,11-12,19H2,1H3