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

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-(2-phenylethanoylamino)propanamide Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide CAS Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-3-[(1-oxo-2-phenylethyl)amino]propanamide 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-[(2-phenylacetyl)amino]propanamide Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propionamide Formula: C20H22N6O2S2 MolecularWeight: 442.55768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCNC(=O)CC2=CC=CC=C2)C3=NNC(=S)N3CC=C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCNC(=O)CC2=CC=CC=C2)C3=NNC(=S)N3CC=C

InChI

InChI=1S/C20H22N6O2S2/c1-3-11-26-18(24-25-20(26)29)17-13(2)22-19(30-17)23-15(27)9-10-21-16(28)12-14-7-5-4-6-8-14/h3-8H,1,9-12H2,2H3,(H,21,28)(H,25,29)(H,22,23,27)