(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: (4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-isopropyl-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium CAS Name: (4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-propan-2-ylazanium Traditional Name: benzyl-isopropyl-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium Formula: C14H21N4S+ MolecularWeight: 277.40834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4S/c1-12(2)17(9-13-7-5-4-6-8-13)11-18-14(19)16(3)10-15-18/h4-8,10,12H,9,11H2,1-3H3/p+1