N-[[1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]pyrrol-2-yl]methyl]-4-methyl-aniline

Systemtic Name: N-[[1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]pyrrol-2-yl]methyl]-4-methyl-aniline Openeye Name: N-[[1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]pyrrol-2-yl]methyl]-4-methyl-aniline CAS Name: N-[[1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-2-pyrrolyl]methyl]-4-methylaniline IUPAC Name: N-[[1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]pyrrol-2-yl]methyl]-4-methylaniline Traditional Name: [1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]pyrrol-2-yl]methyl-(p-tolyl)amine Formula: C20H25N5S MolecularWeight: 367.511

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC2=CC=CN2C3=NN=C(S3)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NCC2=CC=CN2C3=NN=C(S3)N4CCCCCC4

InChI

InChI=1S/C20H25N5S/c1-16-8-10-17(11-9-16)21-15-18-7-6-14-25(18)20-23-22-19(26-20)24-12-4-2-3-5-13-24/h6-11,14,21H,2-5,12-13,15H2,1H3