3-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C12H11ClN4S MolecularWeight: 278.76054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NN=C2SCCC#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NN=C2SCCC#N)Cl

InChI

InChI=1S/C12H11ClN4S/c1-9-3-4-10(7-11(9)13)17-8-15-16-12(17)18-6-2-5-14/h3-4,7-8H,2,6H2,1H3