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

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-[(4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-[(4-cyclopropyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-[(4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-[(4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (5-chloro-2-methoxy-benzyl)-[(4-cyclopropyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium Formula: C16H22ClN4OS+ MolecularWeight: 353.89008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2CC2)C[NH+](C)CC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=NN(C(=S)N1C2CC2)C[NH+](C)CC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C16H21ClN4OS/c1-11-18-20(16(23)21(11)14-5-6-14)10-19(2)9-12-8-13(17)4-7-15(12)22-3/h4,7-8,14H,5-6,9-10H2,1-3H3/p+1