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

Systemtic Name: 3-acetamido-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-yl-propanamide Openeye Name: 3-acetamido-N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-(2-thienyl)propanamide CAS Name: 3-acetamido-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-3-thiophen-2-ylpropanamide IUPAC Name: 3-acetamido-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide Traditional Name: 3-acetamido-N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-(2-thienyl)propionamide Formula: C18H20N6O2S3 MolecularWeight: 448.5854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CC(C2=CC=CS2)NC(=O)C)C3=NNC(=S)N3CC=C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CC(C2=CC=CS2)NC(=O)C)C3=NNC(=S)N3CC=C

InChI

InChI=1S/C18H20N6O2S3/c1-4-7-24-16(22-23-18(24)27)15-10(2)19-17(29-15)21-14(26)9-12(20-11(3)25)13-6-5-8-28-13/h4-6,8,12H,1,7,9H2,2-3H3,(H,20,25)(H,23,27)(H,19,21,26)