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

Systemtic Name: 2-methoxy-N-[[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-(2-anilino-2-oxo-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methoxy-benzamide CAS Name: N-[[5-[(2-anilino-2-oxoethyl)thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-methoxybenzamide IUPAC Name: N-[[5-(2-anilino-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-methoxybenzamide Traditional Name: N-[[4-allyl-5-[(2-anilino-2-keto-ethyl)thio]-1,2,4-triazol-3-yl]methyl]-2-methoxy-benzamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H23N5O3S/c1-3-13-27-19(14-23-21(29)17-11-7-8-12-18(17)30-2)25-26-22(27)31-15-20(28)24-16-9-5-4-6-10-16/h3-12H,1,13-15H2,2H3,(H,23,29)(H,24,28)