2-[[4-azanyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-[4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-(4-pyrrolidinophenyl)acetamide Formula: C21H24N6OS MolecularWeight: 408.51986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C21H24N6OS/c1-15-6-2-3-7-18(15)20-24-25-21(27(20)22)29-14-19(28)23-16-8-10-17(11-9-16)26-12-4-5-13-26/h2-3,6-11H,4-5,12-14,22H2,1H3,(H,23,28)