(5-cyclopropyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-[(5-methylthiophen-2-yl)methyl]-phenethyl-azanium

Systemtic Name: (5-cyclopropyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-[(5-methylthiophen-2-yl)methyl]-phenethyl-azanium Openeye Name: (5-cyclopropyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl-[(5-methyl-2-thienyl)methyl]-phenethyl-ammonium CAS Name: (5-cyclopropyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-[(5-methyl-2-thiophenyl)methyl]-phenethylammonium IUPAC Name: (5-cyclopropyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-[(5-methylthiophen-2-yl)methyl]-phenethylazanium Traditional Name: (5-cyclopropyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl-[(5-methyl-2-thienyl)methyl]-phenethyl-ammonium Formula: C20H25N4S2+ MolecularWeight: 385.5693

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+](CCC2=CC=CC=C2)CN3C(=S)N=C(N3)C4CC4

Isomeric SMILES

CC1=CC=C(S1)C[NH+](CCC2=CC=CC=C2)CN3C(=S)N=C(N3)C4CC4

InChI

InChI=1S/C20H24N4S2/c1-15-7-10-18(26-15)13-23(12-11-16-5-3-2-4-6-16)14-24-20(25)21-19(22-24)17-8-9-17/h2-7,10,17H,8-9,11-14H2,1H3,(H,21,22,25)/p+1