(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl N-(pyridin-2-ylmethyl)carbamodithioate

Systemtic Name: (2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl N-(pyridin-2-ylmethyl)carbamodithioate Openeye Name: (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl N-(2-pyridylmethyl)carbamodithioate CAS Name: N-(2-pyridinylmethyl)carbamodithioic acid (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl ester IUPAC Name: (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl N-(pyridin-2-ylmethyl)carbamodithioate Traditional Name: N-(2-pyridylmethyl)carbamodithioic acid (4-keto-2-methyl-1H-quinazolin-6-yl)methyl ester Formula: C17H16N4OS2 MolecularWeight: 356.46514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CSC(=S)NCC3=CC=CC=N3

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CSC(=S)NCC3=CC=CC=N3

InChI

InChI=1S/C17H16N4OS2/c1-11-20-15-6-5-12(8-14(15)16(22)21-11)10-24-17(23)19-9-13-4-2-3-7-18-13/h2-8H,9-10H2,1H3,(H,19,23)(H,20,21,22)