2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-(4-methylphenyl)propanenitrile

Systemtic Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-(4-methylphenyl)propanenitrile Openeye Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-(p-tolyl)propanenitrile CAS Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-3-(4-methylphenyl)propanenitrile IUPAC Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-(4-methylphenyl)propanenitrile Traditional Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-3-(p-tolyl)propionitrile Formula: C18H15BrN4S MolecularWeight: 399.3075

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

CC1=CC=C(C=C1)CC(C#N)SC2=NNC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C18H15BrN4S/c1-12-6-8-13(9-7-12)10-14(11-20)24-18-21-17(22-23-18)15-4-2-3-5-16(15)19/h2-9,14H,10H2,1H3,(H,21,22,23)