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

Systemtic Name: 1-phenyl-N-[4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide Openeye Name: N-[4-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]thiazol-2-yl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 1-phenyl-N-[4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-thiazolyl]-4-pyrazolecarboxamide IUPAC Name: 1-phenyl-N-[4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide Traditional Name: N-[4-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]thiazol-2-yl]-1-phenyl-pyrazole-4-carboxamide Formula: C19H17N7OS2 MolecularWeight: 423.51458

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NNC1=S)CC2=CSC(=N2)NC(=O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NNC1=S)CC2=CSC(=N2)NC(=O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H17N7OS2/c1-2-8-25-16(23-24-19(25)28)9-14-12-29-18(21-14)22-17(27)13-10-20-26(11-13)15-6-4-3-5-7-15/h2-7,10-12H,1,8-9H2,(H,24,28)(H,21,22,27)