1-phenethyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-phenethyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-phenethyl-3-(1-phenyltetrazol-5-yl)sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-phenethyl-3-[(1-phenyl-5-tetrazolyl)thio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-phenethyl-3-(1-phenyltetrazol-5-yl)sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-phenethyl-3-[(1-phenyltetrazol-5-yl)thio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C25H22N6S MolecularWeight: 438.54738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C(=NC(=C2C1)CCC3=CC=CC=C3)SC4=NN=NN4C5=CC=CC=C5)C#N

Isomeric SMILES

C1CCC2=C(C(=NC(=C2C1)CCC3=CC=CC=C3)SC4=NN=NN4C5=CC=CC=C5)C#N

InChI

InChI=1S/C25H22N6S/c26-17-22-20-13-7-8-14-21(20)23(16-15-18-9-3-1-4-10-18)27-24(22)32-25-28-29-30-31(25)19-11-5-2-6-12-19/h1-6,9-12H,7-8,13-16H2