2-[[4-azanyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[4-azanyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C16H11Cl2N5S MolecularWeight: 376.26304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NN=C(N2N)C3=C(C=C(C=C3)Cl)Cl)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NN=C(N2N)C3=C(C=C(C=C3)Cl)Cl)C#N

InChI

InChI=1S/C16H11Cl2N5S/c17-12-5-6-13(14(18)7-12)15-21-22-16(23(15)20)24-9-11-4-2-1-3-10(11)8-19/h1-7H,9,20H2