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

Systemtic Name: N-(2-methoxyphenyl)-2-[5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethanamide Openeye Name: 2-[4-allyl-5-[2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(2-methoxyphenyl)acetamide CAS Name: N-(2-methoxyphenyl)-2-[5-[[2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(2-methoxyphenyl)-2-[5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide Traditional Name: 2-[4-allyl-5-[[2-keto-2-[(4-methylthiazol-2-yl)amino]ethyl]thio]-1,2,4-triazol-3-yl]-N-(2-methoxyphenyl)acetamide Formula: C20H22N6O3S2 MolecularWeight: 458.55708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)CSC2=NN=C(N2CC=C)CC(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CC1=CSC(=N1)NC(=O)CSC2=NN=C(N2CC=C)CC(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C20H22N6O3S2/c1-4-9-26-16(10-17(27)22-14-7-5-6-8-15(14)29-3)24-25-20(26)31-12-18(28)23-19-21-13(2)11-30-19/h4-8,11H,1,9-10,12H2,2-3H3,(H,22,27)(H,21,23,28)