(Z)-3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-nitrophenyl)prop-2-enenitrile

Systemtic Name: (Z)-3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-nitrophenyl)prop-2-enenitrile Openeye Name: (Z)-3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-nitrophenyl)prop-2-enenitrile CAS Name: (Z)-3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-3-(4-nitrophenyl)-2-propenenitrile IUPAC Name: (Z)-3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-nitrophenyl)prop-2-enenitrile Traditional Name: (Z)-3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-3-(4-nitrophenyl)acrylonitrile Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SC(=CC#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)S/C(=C\C#N)/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O2S/c1-13-20-21-18(22(13)15-5-3-2-4-6-15)26-17(11-12-19)14-7-9-16(10-8-14)23(24)25/h7-11,15H,2-6H2,1H3/b17-11-