4-(2,3-dimethylphenyl)-3-[(1-methylpyrrol-2-yl)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2,3-dimethylphenyl)-3-[(1-methylpyrrol-2-yl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2,3-dimethylphenyl)-3-[(1-methylpyrrol-2-yl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(2,3-dimethylphenyl)-3-[(1-methyl-2-pyrrolyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2,3-dimethylphenyl)-3-[(1-methylpyrrol-2-yl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2,3-dimethylphenyl)-3-[(1-methylpyrrol-2-yl)methyl]-1H-1,2,4-triazole-5-thione Formula: C16H18N4S MolecularWeight: 298.40592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=NNC2=S)CC3=CC=CN3C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NNC2=S)CC3=CC=CN3C)C

InChI

InChI=1S/C16H18N4S/c1-11-6-4-8-14(12(11)2)20-15(17-18-16(20)21)10-13-7-5-9-19(13)3/h4-9H,10H2,1-3H3,(H,18,21)