2-[[4-(3-chloranyl-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-(3-chloranyl-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(3-chloro-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(3-chloro-4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-(3-chloro-4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-(3-chloro-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C17H13ClN4OS MolecularWeight: 356.82932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN=C2SCC#N)C3=CC=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN=C2SCC#N)C3=CC=CC=C3)Cl

InChI

InChI=1S/C17H13ClN4OS/c1-23-15-8-7-13(11-14(15)18)22-16(12-5-3-2-4-6-12)20-21-17(22)24-10-9-19/h2-8,11H,10H2,1H3