7-chloranyl-4-[(3-ethynylphenyl)amino]-6-methyl-1H-quinazoline-2-thione

Systemtic Name: 7-chloranyl-4-[(3-ethynylphenyl)amino]-6-methyl-1H-quinazoline-2-thione Openeye Name: 7-chloro-4-(3-ethynylanilino)-6-methyl-1H-quinazoline-2-thione CAS Name: 7-chloro-4-(3-ethynylanilino)-6-methyl-1H-quinazoline-2-thione IUPAC Name: 7-chloro-4-(3-ethynylanilino)-6-methyl-1H-quinazoline-2-thione Traditional Name: 7-chloro-4-(3-ethynylanilino)-6-methyl-1H-quinazoline-2-thione Formula: C17H12ClN3S MolecularWeight: 325.81528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=S)N2)NC3=CC=CC(=C3)C#C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=S)N2)NC3=CC=CC(=C3)C#C)Cl

InChI

InChI=1S/C17H12ClN3S/c1-3-11-5-4-6-12(8-11)19-16-13-7-10(2)14(18)9-15(13)20-17(22)21-16/h1,4-9H,2H3,(H2,19,20,21,22)