N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3-(methylsulfanylmethyl)benzenecarboximidate

Systemtic Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3-(methylsulfanylmethyl)benzenecarboximidate Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-(methylsulfanylmethyl)benzenecarboximidate CAS Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-3-[(methylthio)methyl]benzenecarboximidate IUPAC Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3-(methylsulfanylmethyl)benzenecarboximidate Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-[(methylthio)methyl]benzenecarboximidate Formula: C18H18N5OS3- MolecularWeight: 416.56342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N=C(C2=CC(=CC=C2)CSC)[O-])C3=NNC(=S)N3CC=C

Isomeric SMILES

CC1=C(SC(=N1)N=C(C2=CC(=CC=C2)CSC)[O-])C3=NNC(=S)N3CC=C

InChI

InChI=1S/C18H19N5OS3/c1-4-8-23-15(21-22-18(23)25)14-11(2)19-17(27-14)20-16(24)13-7-5-6-12(9-13)10-26-3/h4-7,9H,1,8,10H2,2-3H3,(H,22,25)(H,19,20,24)/p-1