N-(3-chloranyl-4-methyl-phenyl)-2-[3-(2-methoxyphenyl)-4-pyrrol-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[3-(2-methoxyphenyl)-4-pyrrol-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[3-(2-methoxyphenyl)-4-pyrrol-1-yl-5-thioxo-1,2,4-triazol-1-yl]acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[3-(2-methoxyphenyl)-4-(1-pyrrolyl)-5-sulfanylidene-1,2,4-triazol-1-yl]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[3-(2-methoxyphenyl)-4-pyrrol-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl]acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[3-(2-methoxyphenyl)-4-pyrrol-1-yl-5-thioxo-1,2,4-triazol-1-yl]acetamide Formula: C22H20ClN5O2S MolecularWeight: 453.9445

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C(=S)N(C(=N2)C3=CC=CC=C3OC)N4C=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C(=S)N(C(=N2)C3=CC=CC=C3OC)N4C=CC=C4)Cl

InChI

InChI=1S/C22H20ClN5O2S/c1-15-9-10-16(13-18(15)23)24-20(29)14-27-22(31)28(26-11-5-6-12-26)21(25-27)17-7-3-4-8-19(17)30-2/h3-13H,14H2,1-2H3,(H,24,29)