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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3

InChI

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