propan-2-yl 2-[[5-[2-[(6-oxidanylidene-5-prop-2-enyl-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: propan-2-yl 2-[[5-[2-[(6-oxidanylidene-5-prop-2-enyl-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[5-[2-[(5-allyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methylhydrazo]-1H-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[5-[2-[(6-oxo-5-prop-2-enylcyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[N'-[(5-allyl-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-1H-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NNC(=N1)NNC=C2C=CC=C(C2=O)CC=C

Isomeric SMILES

CC(C)OC(=O)CSC1=NNC(=N1)NNC=C2C=CC=C(C2=O)CC=C

InChI

InChI=1S/C17H21N5O3S/c1-4-6-12-7-5-8-13(15(12)24)9-18-20-16-19-17(22-21-16)26-10-14(23)25-11(2)3/h4-5,7-9,11,18H,1,6,10H2,2-3H3,(H2,19,20,21,22)