N-[1-[5-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-oxidanyl-ethyl]-4-methoxy-benzamide

Systemtic Name: N-[1-[5-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-oxidanyl-ethyl]-4-methoxy-benzamide Openeye Name: N-[1-[4-allyl-5-[2-(3,4-dimethylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-hydroxy-ethyl]-4-methoxy-benzamide CAS Name: N-[1-[5-[[2-(3,4-dimethylanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-hydroxyethyl]-4-methoxybenzamide IUPAC Name: N-[1-[5-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-hydroxyethyl]-4-methoxybenzamide Traditional Name: N-[1-[4-allyl-5-[[2-(3,4-dimethylanilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]-2-hydroxy-ethyl]-4-methoxy-benzamide Formula: C25H29N5O4S MolecularWeight: 495.59386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C(CO)NC(=O)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C(CO)NC(=O)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C25H29N5O4S/c1-5-12-30-23(21(14-31)27-24(33)18-7-10-20(34-4)11-8-18)28-29-25(30)35-15-22(32)26-19-9-6-16(2)17(3)13-19/h5-11,13,21,31H,1,12,14-15H2,2-4H3,(H,26,32)(H,27,33)