3-chloranyl-4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-chloro-benzonitrile CAS Name: 3-chloro-4-[[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-chlorobenzonitrile Traditional Name: 4-[[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-3-chloro-benzonitrile Formula: C18H15ClN4S MolecularWeight: 354.8565

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C=C(C=C2)C#N)Cl)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=C(C=C2)C#N)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C18H15ClN4S/c1-23-17(10-13-5-3-2-4-6-13)21-22-18(23)24-12-15-8-7-14(11-20)9-16(15)19/h2-9H,10,12H2,1H3