N-aminocarbonyl-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide

Systemtic Name: N-aminocarbonyl-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide Openeye Name: N-carbamoyl-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide CAS Name: N-carbamoyl-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3-methylbutanamide IUPAC Name: N-carbamoyl-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-methylbutanamide Traditional Name: N-carbamoyl-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3-methyl-butyramide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NN=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)SC1=NN=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H23N5O3S/c1-13(2)17(19(27)23-20(22)28)30-21-25-24-18(14-8-7-11-16(12-14)29-3)26(21)15-9-5-4-6-10-15/h4-13,17H,1-3H3,(H3,22,23,27,28)