(3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: (3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: (3-cyclopropyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: (3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylammonium IUPAC Name: (3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium Traditional Name: (3-cyclopropyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(4-ethoxy-3-methoxy-benzyl)-methyl-ammonium Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2S/c1-4-29-20-13-10-17(14-21(20)28-3)15-25(2)16-26-23(30)27(19-8-6-5-7-9-19)22(24-26)18-11-12-18/h5-10,13-14,18H,4,11-12,15-16H2,1-3H3/p+1