(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl N-(pyridin-3-ylmethyl)carbamodithioate

Systemtic Name: (2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl N-(pyridin-3-ylmethyl)carbamodithioate Openeye Name: (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl N-(3-pyridylmethyl)carbamodithioate CAS Name: N-(3-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-3-ylmethyl)carbamodithioate Traditional Name: N-(3-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=CN=CC=C3

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CSC(=S)NCC3=CN=CC=C3

InChI

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