cyclopropyl-(4-methylcyclohexyl)-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium

Systemtic Name: cyclopropyl-(4-methylcyclohexyl)-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Openeye Name: (4-benzyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-cyclopropyl-(4-methylcyclohexyl)ammonium CAS Name: cyclopropyl-(4-methylcyclohexyl)-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: (4-benzyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-cyclopropyl-(4-methylcyclohexyl)azanium Traditional Name: (4-benzyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-cyclopropyl-(4-methylcyclohexyl)ammonium Formula: C21H31N4S+ MolecularWeight: 371.56264

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)[NH+](CN2C(=S)N(C(=N2)C)CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CC1CCC(CC1)[NH+](CN2C(=S)N(C(=N2)C)CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C21H30N4S/c1-16-8-10-19(11-9-16)24(20-12-13-20)15-25-21(26)23(17(2)22-25)14-18-6-4-3-5-7-18/h3-7,16,19-20H,8-15H2,1-2H3/p+1