(3-cyclopropyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-(diphenylmethyl)-methyl-azanium

Systemtic Name: (3-cyclopropyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-(diphenylmethyl)-methyl-azanium Openeye Name: (4-allyl-3-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-benzhydryl-methyl-ammonium CAS Name: (3-cyclopropyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-(diphenylmethyl)-methylammonium IUPAC Name: benzhydryl-[(3-cyclopropyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (4-allyl-3-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-benzhydryl-methyl-ammonium Formula: C23H27N4S+ MolecularWeight: 391.55228

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CN1C(=S)N(C(=N1)C2CC2)CC=C)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CN1C(=S)N(C(=N1)C2CC2)CC=C)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4S/c1-3-16-26-22(20-14-15-20)24-27(23(26)28)17-25(2)21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h3-13,20-21H,1,14-17H2,2H3/p+1