3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]aniline

Systemtic Name: 3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]aniline Openeye Name: 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]aniline CAS Name: 3-[[(1-phenyl-5-tetrazolyl)thio]methyl]aniline IUPAC Name: 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]aniline Traditional Name: [3-[[(1-phenyltetrazol-5-yl)thio]methyl]phenyl]amine Formula: C14H13N5S MolecularWeight: 283.35152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=CC=C3)N

InChI

InChI=1S/C14H13N5S/c15-12-6-4-5-11(9-12)10-20-14-16-17-18-19(14)13-7-2-1-3-8-13/h1-9H,10,15H2