2-[3-(benzotriazol-1-ylmethyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(3-chloranyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[3-(benzotriazol-1-ylmethyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(3-chloranyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[4-allyl-3-(benzotriazol-1-ylmethyl)-5-thioxo-1,2,4-triazol-1-yl]-N-(3-chloro-2-methyl-phenyl)acetamide CAS Name: 2-[3-(1-benzotriazolylmethyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(3-chloro-2-methylphenyl)acetamide IUPAC Name: 2-[3-(benzotriazol-1-ylmethyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(3-chloro-2-methylphenyl)acetamide Traditional Name: 2-[4-allyl-3-(benzotriazol-1-ylmethyl)-5-thioxo-1,2,4-triazol-1-yl]-N-(3-chloro-2-methyl-phenyl)acetamide Formula: C21H20ClN7OS MolecularWeight: 453.9478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CN2C(=S)N(C(=N2)CN3C4=CC=CC=C4N=N3)CC=C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CN2C(=S)N(C(=N2)CN3C4=CC=CC=C4N=N3)CC=C

InChI

InChI=1S/C21H20ClN7OS/c1-3-11-27-19(12-28-18-10-5-4-8-17(18)24-26-28)25-29(21(27)31)13-20(30)23-16-9-6-7-15(22)14(16)2/h3-10H,1,11-13H2,2H3,(H,23,30)