S-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl] pyridine-4-carbothioate

Systemtic Name: S-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl] pyridine-4-carbothioate Openeye Name: S-[2-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl] pyridine-4-carbothioate CAS Name: 4-pyridinecarbothioic acid S-[2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(2-amino-2-oxoethyl)carbamoyl]phenyl] pyridine-4-carbothioate Traditional Name: pyridine-4-carbothioic acid S-[2-[(2-amino-2-keto-ethyl)carbamoyl]phenyl] ester Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC(=O)N)SC(=O)C2=CC=NC=C2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC(=O)N)SC(=O)C2=CC=NC=C2

InChI

InChI=1S/C15H13N3O3S/c16-13(19)9-18-14(20)11-3-1-2-4-12(11)22-15(21)10-5-7-17-8-6-10/h1-8H,9H2,(H2,16,19)(H,18,20)