3-[2-cyanoethyl-[(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[(4-phenyl-5-sulfanylidene-1-tetrazolyl)methyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]amino]propionitrile Formula: C14H15N7S MolecularWeight: 313.3808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=S)N(N=N2)CN(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=S)N(N=N2)CN(CCC#N)CCC#N

InChI

InChI=1S/C14H15N7S/c15-8-4-10-19(11-5-9-16)12-20-14(22)21(18-17-20)13-6-2-1-3-7-13/h1-3,6-7H,4-5,10-12H2