4-[5-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)furan-2-yl]-3-methyl-benzoic acid

Systemtic Name: 4-[5-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)furan-2-yl]-3-methyl-benzoic acid Openeye Name: 4-[5-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-2-furyl]-3-methyl-benzoic acid CAS Name: 4-[5-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-2-furanyl]-3-methylbenzoic acid IUPAC Name: 4-[5-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)furan-2-yl]-3-methylbenzoic acid Traditional Name: 4-[5-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-2-furyl]-3-methyl-benzoic acid Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=C(C#N)C(=S)N

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=C(C#N)C(=S)N

InChI

InChI=1S/C16H12N2O3S/c1-9-6-10(16(19)20)2-4-13(9)14-5-3-12(21-14)7-11(8-17)15(18)22/h2-7H,1H3,(H2,18,22)(H,19,20)