3-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-3-phenyl-prop-2-enenitrile

Systemtic Name: 3-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-3-phenyl-prop-2-enenitrile Openeye Name: 3-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-3-phenyl-prop-2-enenitrile CAS Name: 3-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-3-phenyl-2-propenenitrile IUPAC Name: 3-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-3-phenylprop-2-enenitrile Traditional Name: 3-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-3-phenyl-acrylonitrile Formula: C17H19N5S MolecularWeight: 325.43126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N)SC(=CC#N)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2N)SC(=CC#N)C3=CC=CC=C3

InChI

InChI=1S/C17H19N5S/c18-12-11-15(13-7-3-1-4-8-13)23-17-21-20-16(22(17)19)14-9-5-2-6-10-14/h1,3-4,7-8,11,14H,2,5-6,9-10,19H2