N-[4-[5-[1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]phenyl]-3-methyl-benzamide

Systemtic Name: N-[4-[5-[1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]phenyl]-3-methyl-benzamide Openeye Name: N-[4-[4-benzyl-5-[2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-3-methyl-benzamide CAS Name: N-[4-[5-[[1-(4-ethoxyanilino)-1-oxopropan-2-yl]thio]-4-(phenylmethyl)-1,2,4-triazol-3-yl]phenyl]-3-methylbenzamide IUPAC Name: N-[4-[4-benzyl-5-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-3-methylbenzamide Traditional Name: N-[4-[4-benzyl-5-[[2-keto-1-methyl-2-(p-phenetidino)ethyl]thio]-1,2,4-triazol-3-yl]phenyl]-3-methyl-benzamide Formula: C34H33N5O3S MolecularWeight: 591.72252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)C

InChI

InChI=1S/C34H33N5O3S/c1-4-42-30-19-17-29(18-20-30)35-32(40)24(3)43-34-38-37-31(39(34)22-25-10-6-5-7-11-25)26-13-15-28(16-14-26)36-33(41)27-12-8-9-23(2)21-27/h5-21,24H,4,22H2,1-3H3,(H,35,40)(H,36,41)