2-[5-hexadecoxy-3,3-dimethyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-2H-inden-1-ylidene]propanedinitrile

Systemtic Name: 2-[5-hexadecoxy-3,3-dimethyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-2H-inden-1-ylidene]propanedinitrile Openeye Name: 2-[5-hexadecoxy-3,3-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanyl-indan-1-ylidene]propanedinitrile CAS Name: 2-[5-hexadecoxy-3,3-dimethyl-2-[(1-phenyl-5-tetrazolyl)thio]-2H-inden-1-ylidene]propanedinitrile IUPAC Name: 2-[5-hexadecoxy-3,3-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanyl-2H-inden-1-ylidene]propanedinitrile Traditional Name: 2-[5-cetyloxy-3,3-dimethyl-2-[(1-phenyltetrazol-5-yl)thio]indan-1-ylidene]malononitrile Formula: C37H48N6OS MolecularWeight: 624.88162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC2=C(C=C1)C(=C(C#N)C#N)C(C2(C)C)SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC2=C(C=C1)C(=C(C#N)C#N)C(C2(C)C)SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C37H48N6OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-44-31-23-24-32-33(26-31)37(2,3)35(34(32)29(27-38)28-39)45-36-40-41-42-43(36)30-21-18-17-19-22-30/h17-19,21-24,26,35H,4-16,20,25H2,1-3H3