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

Systemtic Name: 4-[[4-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(4-amino-5-benzylsulfanyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-amino-5-(phenylmethylthio)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[(4-amino-5-benzylsulfanyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-amino-5-(benzylthio)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C17H15N5S2 MolecularWeight: 353.4645

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2N)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2N)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H15N5S2/c18-10-13-6-8-15(9-7-13)12-24-17-21-20-16(22(17)19)23-11-14-4-2-1-3-5-14/h1-9H,11-12,19H2