3-(5-phenyl-1,2,3,4-tetrazol-2-yl)pentanethioamide

Systemtic Name: 3-(5-phenyl-1,2,3,4-tetrazol-2-yl)pentanethioamide Openeye Name: 3-(5-phenyltetrazol-2-yl)pentanethioamide CAS Name: 3-(5-phenyl-2-tetrazolyl)pentanethioamide IUPAC Name: 3-(5-phenyltetrazol-2-yl)pentanethioamide Traditional Name: 3-(5-phenyltetrazol-2-yl)thiovaleramide Formula: C12H15N5S MolecularWeight: 261.346

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=S)N)N1N=C(N=N1)C2=CC=CC=C2

Isomeric SMILES

CCC(CC(=S)N)N1N=C(N=N1)C2=CC=CC=C2

InChI

InChI=1S/C12H15N5S/c1-2-10(8-11(13)18)17-15-12(14-16-17)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H2,13,18)