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

Systemtic Name: 3-(4-cyanophenyl)-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]propanamide Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-(4-cyanophenyl)propanamide CAS Name: 3-(4-cyanophenyl)-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]propanamide IUPAC Name: 3-(4-cyanophenyl)-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]propanamide Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-(4-cyanophenyl)propionamide Formula: C19H18N6OS2 MolecularWeight: 410.51582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCC2=CC=C(C=C2)C#N)C3=NNC(=S)N3CC=C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCC2=CC=C(C=C2)C#N)C3=NNC(=S)N3CC=C

InChI

InChI=1S/C19H18N6OS2/c1-3-10-25-17(23-24-19(25)27)16-12(2)21-18(28-16)22-15(26)9-8-13-4-6-14(11-20)7-5-13/h3-7H,1,8-10H2,2H3,(H,24,27)(H,21,22,26)