methyl-(phenylmethyl)-[[5-(prop-2-enylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]azanium

Systemtic Name: methyl-(phenylmethyl)-[[5-(prop-2-enylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]azanium Openeye Name: [5-(allylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl-benzyl-methyl-ammonium CAS Name: methyl-(phenylmethyl)-[[5-(prop-2-enylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]ammonium IUPAC Name: benzyl-methyl-[[5-(prop-2-enylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]azanium Traditional Name: [5-(allylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl-benzyl-methyl-ammonium Formula: C14H19N4S2+ MolecularWeight: 307.45746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4S2/c1-3-9-15-13-16-18(14(19)20-13)11-17(2)10-12-7-5-4-6-8-12/h3-8H,1,9-11H2,2H3,(H,15,16)/p+1