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

Systemtic Name: [3-cyclopropyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-ethoxyphenyl)methyl]-methyl-azanium Openeye Name: (4-benzyl-3-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(4-ethoxyphenyl)methyl]-methyl-ammonium CAS Name: [3-cyclopropyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-ethoxyphenyl)methyl]-methylammonium IUPAC Name: (4-benzyl-3-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-ethoxyphenyl)methyl]-methylazanium Traditional Name: (4-benzyl-3-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(4-ethoxybenzyl)-methyl-ammonium Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4OS/c1-3-28-21-13-9-19(10-14-21)15-25(2)17-27-23(29)26(22(24-27)20-11-12-20)16-18-7-5-4-6-8-18/h4-10,13-14,20H,3,11-12,15-17H2,1-2H3/p+1