2-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)amino]ethylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)amino]ethylsulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[2-[(1-phenyltetrazol-5-yl)amino]ethylsulfanylmethyl]benzonitrile CAS Name: 2-[[2-[(1-phenyl-5-tetrazolyl)amino]ethylthio]methyl]benzonitrile IUPAC Name: 2-[2-[(1-phenyltetrazol-5-yl)amino]ethylsulfanylmethyl]benzonitrile Traditional Name: 2-[[2-[(1-phenyltetrazol-5-yl)amino]ethylthio]methyl]benzonitrile Formula: C17H16N6S MolecularWeight: 336.41414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C17H16N6S/c18-12-14-6-4-5-7-15(14)13-24-11-10-19-17-20-21-22-23(17)16-8-2-1-3-9-16/h1-9H,10-11,13H2,(H,19,20,22)