3-methyl-N-[[5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 3-methyl-N-[[5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: 3-methyl-N-[[5-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3-methyl-N-[[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-allyl-5-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C26H30N6O2S MolecularWeight: 490.6204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H30N6O2S/c1-3-12-32-23(18-27-25(34)21-9-7-8-20(2)17-21)28-29-26(32)35-19-24(33)31-15-13-30(14-16-31)22-10-5-4-6-11-22/h3-11,17H,1,12-16,18-19H2,2H3,(H,27,34)