2-[7-bromanyl-8-methoxy-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-5-methyl-1,3,4-thiadiazole

Systemtic Name: 2-[7-bromanyl-8-methoxy-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-5-methyl-1,3,4-thiadiazole Openeye Name: 2-[7-bromo-8-methoxy-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-5-methyl-1,3,4-thiadiazole CAS Name: 2-[7-bromo-8-methoxy-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-5-methyl-1,3,4-thiadiazole IUPAC Name: 2-[7-bromo-8-methoxy-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-5-methyl-1,3,4-thiadiazole Traditional Name: 2-[7-bromo-8-methoxy-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-5-methyl-1,3,4-thiadiazole Formula: C20H18BrN5O3S MolecularWeight: 488.35762

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC(=C(C=C2C(=NN1C3=NN=C(S3)C)C4=CC=C(C=C4)[N+](=O)[O-])OC)Br

Isomeric SMILES

CC1CC2=CC(=C(C=C2C(=NN1C3=NN=C(S3)C)C4=CC=C(C=C4)[N+](=O)[O-])OC)Br

InChI

InChI=1S/C20H18BrN5O3S/c1-11-8-14-9-17(21)18(29-3)10-16(14)19(13-4-6-15(7-5-13)26(27)28)24-25(11)20-23-22-12(2)30-20/h4-7,9-11H,8H2,1-3H3