phenyl-[2-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone

Systemtic Name: phenyl-[2-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone Openeye Name: [2-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-phenyl-methanone CAS Name: phenyl-[2-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1-pyrrolidinyl]methanone IUPAC Name: phenyl-[2-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone Traditional Name: [2-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)pyrrolidino]-phenyl-methanone Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NNC1=S)C2CCCN2C(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NNC1=S)C2CCCN2C(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H18N4OS/c1-2-10-20-14(17-18-16(20)22)13-9-6-11-19(13)15(21)12-7-4-3-5-8-12/h2-5,7-8,13H,1,6,9-11H2,(H,18,22)