N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-2-pyrrolyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NN2)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NN2)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C18H18N6O2S/c1-11-12(2)24(13-4-6-14(26-3)7-5-13)17(15(11)8-19)22-16(25)9-27-18-20-10-21-23-18/h4-7,10H,9H2,1-3H3,(H,22,25)(H,20,21,23)