N-(4-bromophenyl)-6-methyl-2-sulfanylidene-4-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: N-(4-bromophenyl)-6-methyl-2-sulfanylidene-4-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: N-(4-bromophenyl)-6-methyl-2-thioxo-4-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: N-(4-bromophenyl)-6-methyl-2-sulfanylidene-4-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: N-(4-bromophenyl)-6-methyl-2-sulfanylidene-4-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: N-(4-bromophenyl)-6-methyl-2-thioxo-4-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C20H17BrN6OS MolecularWeight: 469.35758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)N3C=NC=N3)C(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)N3C=NC=N3)C(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H17BrN6OS/c1-12-17(19(28)25-15-6-4-14(21)5-7-15)18(26-20(29)24-12)13-2-8-16(9-3-13)27-11-22-10-23-27/h2-11,18H,1H3,(H,25,28)(H2,24,26,29)