4-methoxy-N-[2-methyl-1-[5-(1-oxidanylidene-1-phenylazanyl-butan-2-yl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]propyl]benzamide

Systemtic Name: 4-methoxy-N-[2-methyl-1-[5-(1-oxidanylidene-1-phenylazanyl-butan-2-yl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]propyl]benzamide Openeye Name: N-[1-[4-allyl-5-[1-(phenylcarbamoyl)propylsulfanyl]-1,2,4-triazol-3-yl]-2-methyl-propyl]-4-methoxy-benzamide CAS Name: N-[1-[5-[(1-anilino-1-oxobutan-2-yl)thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-methylpropyl]-4-methoxybenzamide IUPAC Name: N-[1-[5-(1-anilino-1-oxobutan-2-yl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-methylpropyl]-4-methoxybenzamide Traditional Name: N-[1-[4-allyl-5-[1-(phenylcarbamoyl)propylthio]-1,2,4-triazol-3-yl]-2-methyl-propyl]-4-methoxy-benzamide Formula: C27H33N5O3S MolecularWeight: 507.64762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2CC=C)C(C(C)C)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2CC=C)C(C(C)C)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H33N5O3S/c1-6-17-32-24(23(18(3)4)29-25(33)19-13-15-21(35-5)16-14-19)30-31-27(32)36-22(7-2)26(34)28-20-11-9-8-10-12-20/h6,8-16,18,22-23H,1,7,17H2,2-5H3,(H,28,34)(H,29,33)