(4S)-4-(3-bromanyl-4-ethoxy-phenyl)-4,4a,5,6-tetrahydro-3H-benzo[h]quinazoline-2-thione

Systemtic Name: (4S)-4-(3-bromanyl-4-ethoxy-phenyl)-4,4a,5,6-tetrahydro-3H-benzo[h]quinazoline-2-thione Openeye Name: (4S)-4-(3-bromo-4-ethoxy-phenyl)-4,4a,5,6-tetrahydro-3H-benzo[h]quinazoline-2-thione CAS Name: (4S)-4-(3-bromo-4-ethoxyphenyl)-4,4a,5,6-tetrahydro-3H-benzo[h]quinazoline-2-thione IUPAC Name: (4S)-4-(3-bromo-4-ethoxyphenyl)-4,4a,5,6-tetrahydro-3H-benzo[h]quinazoline-2-thione Traditional Name: (4S)-4-(3-bromo-4-ethoxy-phenyl)-4,4a,5,6-tetrahydro-3H-benzo[h]quinazoline-2-thione Formula: C20H19BrN2OS MolecularWeight: 415.34666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C3CCC4=CC=CC=C4C3=NC(=S)N2)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@@H]2C3CCC4=CC=CC=C4C3=NC(=S)N2)Br

InChI

InChI=1S/C20H19BrN2OS/c1-2-24-17-10-8-13(11-16(17)21)18-15-9-7-12-5-3-4-6-14(12)19(15)23-20(25)22-18/h3-6,8,10-11,15,18H,2,7,9H2,1H3,(H,22,25)/t15?,18-/m1/s1