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

Systemtic Name: [3-cyclopropyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[(4-benzyl-3-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-ethyl-ammonium CAS Name: [3-cyclopropyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(4-benzyl-3-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-ethylazanium Traditional Name: benzyl-[(4-benzyl-3-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-ethyl-ammonium Formula: C22H27N4S+ MolecularWeight: 379.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3CC3)CC4=CC=CC=C4

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4S/c1-2-24(15-18-9-5-3-6-10-18)17-26-22(27)25(21(23-26)20-13-14-20)16-19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3/p+1